Geometry & MOs

Info

ID:	427439
PubChem CID:	135158943
Reduced:	N2F4O4C47H48 (1)
Stoich.:	A2B4C4D47E48 (1)
Weight, g/mol:	239.062757
ΔH_f, kcal/mol:	-249.84
Dipole, Da:	7.29
IP(EA), eV:	-8.42(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-fluorosulfanyloctanedioic acid

Drug info:

PubChemData

Smile

CCCCC(CC)CN1C2=C(C=C(C=C2)/C(=N\OC(=O)C)/C3=CC=CC=C3OCC(C(F)F)(F)F)C4=CC(=C5C=CC=CCC5=C41)C(=O)C6=C(C=C(C=C6C)C)C

DOS

IR

Vibrations